methyl 4-(2,4-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2,4-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2,4-dimethylphenyl)-6-(2-furylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-6-[(2-furanylmethylthio)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylphenyl)-6-(furan-2-ylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-6-[(2-furfurylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSCC3=CC=CO3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSCC3=CC=CO3)C(=O)OC)C

InChI

InChI=1S/C20H22N2O4S/c1-12-6-7-15(13(2)9-12)18-17(19(23)25-3)16(21-20(24)22-18)11-27-10-14-5-4-8-26-14/h4-9,18H,10-11H2,1-3H3,(H2,21,22,24)